4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

C11H20N2O — CID 83182874

IUPAC4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1ccco1
InChIInChI=1S/C11H20N2O/c1-12-10(6-7-13(2)3)9-11-5-4-8-14-11/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyONKSKGBIGMYOAE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.36
Rot. Bonds6

About 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 83182874) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID83182874
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1ccco1
InChIInChI=1S/C11H20N2O/c1-12-10(6-7-13(2)3)9-11-5-4-8-14-11/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyONKSKGBIGMYOAE-UHFFFAOYSA-N
XLogP1.36
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148345
1-(furan-2-yl)-N,4,5,5-tetramethylhexan-2-amine
CID 105029568
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
1-(furan-2-yl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 83175258
[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
CID 129254295
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270
1-(furan-2-yl)-N-methyl-3-naphthalen-2-ylpropan-2-amine
CID 105177393

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 83182874) is 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CNC(CCN(C)C)Cc1ccco1.
What is the InChIKey of 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is ONKSKGBIGMYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-10(6-7-13(2)3)9-11-5-4-8-14-11/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 83182874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).